N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[[3-(cyclopentoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[(3-cyclopentyloxyphenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[3-(cyclopentoxy)benzyl]-N-[(3S)-2-ketoazepan-3-yl]-4-(trifluoromethyl)benzamide Formula: C26H29F3N2O3 MolecularWeight: 474.51527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CN(C3CCCCNC3=O)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)N(CC2=CC(=CC=C2)OC3CCCC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H29F3N2O3/c27-26(28,29)20-13-11-19(12-14-20)25(33)31(23-10-3-4-15-30-24(23)32)17-18-6-5-9-22(16-18)34-21-7-1-2-8-21/h5-6,9,11-14,16,21,23H,1-4,7-8,10,15,17H2,(H,30,32)/t23-/m0/s1